2-[[4-Chloro-6-[[3-[[1-(2,5-Dichloro-4-Sulphophenyl)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]-4-Sulphophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-5-Sulphobenzoic Acid
[CAS# 93858-80-1]

Identification

• Name: 2-[[4-Chloro-6-[[3-[[1-(2,5-Dichloro-4-Sulphophenyl)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]-4-Sulphophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-5-Sulphobenzoic Acid
• Synonyms: 2-[[4-Chloro-6-[[3-[[1-(2,5-Dichloro-4-Sulfo-Phenyl)-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Azo]-4-Sulfo-Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-5-Sulfo-Benzoic Acid; 2-[[4-Chloro-6-[[3-[[1-(2,5-Dichloro-4-Sulfophenyl)-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Azo]-4-Sulfoph
• Molecular Formula: C₂₆H₁₈Cl₃N₉O₁₂S₃
• Molecular Weight: 851.02
• CAS Registry Number: 93858-80-1
• EINECS: 299-314-0
• SMILES: C1=C(Cl)C(=CC(=C1N5N=C(C(N=NC2=C([S](=O)(=O)O)C=CC(=C2)NC3=NC(=NC(=N3)NC4=C(C=C([S](=O)(=O)O)C=C4)C(=O)O)Cl)C5=O)C)Cl)[S](=O)(=O)O
• InChI: 1S/C26H18Cl3N9O12S3/c1-10-21(22(39)38(37-10)18-8-15(28)20(9-14(18)27)53(48,49)50)36-35-17-6-11(2-5-19(17)52(45,46)47)30-25-32-24(29)33-26(34-25)31-16-4-3-12(51(42,43)44)7-13(16)23(40)41/h2-9,21H,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,30,31,3
• InChIKey: NWKBXGLAOFKAAB-UHFFFAOYSA-N

Properties

• Density: 1.993g/cm³ (Cal.)